N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide

C25H20F4N4O3S — CID 143371980

About N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide

N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide (PubChem CID 143371980) has the molecular formula C25H20F4N4O3S and a molecular weight of 532.52 g/mol. Its IUPAC name is N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide
• PubChem CID: 143371980
• Molecular Formula: C25H20F4N4O3S
• Molecular Weight: 532.52 g/mol
• Exact Mass: 532.12
• IUPAC Name: N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide
• SMILES: Cn1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(NS(C)(=O)=O)c21
• InChI: InChI=1S/C25H20F4N4O3S/c1-32-14-20(19-4-3-5-21(23(19)32)31-37(2,35)36)24(34,25(27,28)29)16-6-11-22-15(12-16)13-30-33(22)18-9-7-17(26)8-10-18/h3-14,31,34H,1-2H3/t24-/m1/s1
• InChIKey: YWRRSYLPWYZTHV-XMMPIXPASA-N
• XLogP: 4.83
• TPSA: 89.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.52
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide?

The IUPAC name of N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide (CID 143371980) is N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide.

What is the SMILES notation for N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide?

The canonical SMILES for N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide is Cn1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(NS(C)(=O)=O)c21.

What is the InChIKey of N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide?

The InChIKey is YWRRSYLPWYZTHV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H20F4N4O3S/c1-32-14-20(19-4-3-5-21(23(19)32)31-37(2,35)36)24(34,25(27,28)29)16-6-11-22-15(12-16)13-30-33(22)18-9-7-17(26)8-10-18/h3-14,31,34H,1-2H3/t24-/m1/s1.

What are the key properties of N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide?

N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide has a molecular weight of 532.52 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-methyl-3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-7-yl]methanesulfonamide is sourced from PubChem (CID 143371980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).